#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujr s SER 2 N 0.00 -0.40 -0.29 3.54 1.04 -1.26 -5.17 113.70 111.17 1ujr s SER 2 Ca 0.00 0.48 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 1ujr s SER 2 Cb 0.00 0.39 0.15 0.00 0.10 0.00 0.00 66.02 66.66 1ujr s SER 2 CO 0.00 -0.33 0.97 -0.55 0.98 0.00 0.00 173.24 174.31 1ujr s SER 3 N -0.94 -0.53 0.00 7.02 0.15 -1.26 -5.16 113.70 112.98 1ujr s SER 3 Ca -0.02 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1ujr s SER 3 Cb -0.01 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1ujr s SER 3 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1ujr n GLY 4 N 3.90 -3.04 2.11 9.45 0.00 -1.26 -5.06 105.19 111.29 1ujr n GLY 4 Ca -0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ujr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujr n SER 5 N 0.00 -2.05 -0.71 1.61 2.88 -1.26 -5.17 113.62 108.92 1ujr n SER 5 Ca 0.00 0.62 0.09 0.00 -1.33 0.00 0.00 58.87 58.25 1ujr n SER 5 Cb 0.00 2.04 -0.03 0.00 -0.75 0.00 0.00 64.21 65.47 1ujr n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujr n SER 6 N -3.33 -4.25 -1.94 -3.46 7.64 -1.26 -5.06 113.62 101.97 1ujr n SER 6 Ca 0.00 0.50 -0.08 0.00 1.01 0.00 0.00 58.87 60.30 1ujr n SER 6 Cb 0.00 -2.28 -0.03 0.00 -1.01 0.00 0.00 64.21 60.89 1ujr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujr n GLY 7 N -3.35 3.38 3.76 0.23 0.00 -1.26 -5.18 105.19 102.76 1ujr n GLY 7 Ca -0.02 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.32 1ujr n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 8 N -2.89 -0.01 -0.16 1.61 0.08 -1.26 -5.18 117.98 110.17 1ujr s PHE 8 Ca 0.16 -0.09 -0.29 0.00 0.12 0.00 0.00 56.93 56.82 1ujr s PHE 8 Cb 0.01 0.55 0.11 0.00 -0.57 0.00 0.00 43.02 43.12 1ujr s PHE 8 CO 0.11 -0.26 0.93 -1.17 -0.10 0.00 0.00 175.22 174.73 1ujr s LEU 9 N -3.31 -0.45 -0.10 -0.37 2.96 -1.26 -5.18 118.68 110.97 1ujr s LEU 9 Ca 0.20 0.56 -0.33 0.00 -0.22 0.00 0.00 54.13 54.35 1ujr s LEU 9 Cb 0.03 2.02 0.14 0.00 0.50 0.00 0.00 46.19 48.88 1ujr s LEU 9 CO -0.03 -0.37 1.32 -0.62 -1.32 0.00 0.00 176.35 175.34 1ujr s ASP 10 N -0.90 -0.05 0.16 3.68 -1.08 -1.26 -5.14 116.67 112.08 1ujr s ASP 10 Ca -0.03 -0.06 -0.31 0.00 -0.52 0.00 0.00 52.55 51.63 1ujr s ASP 10 Cb -0.01 0.10 -0.09 0.00 -1.46 0.00 0.00 42.92 41.46 1ujr s ASP 10 CO 0.02 -0.19 1.45 -0.54 0.52 0.00 0.00 175.17 176.43 1ujr s LYS 11 N -2.28 4.29 -0.07 4.34 3.01 -1.26 -4.94 119.74 122.82 1ujr s LYS 11 Ca 0.13 2.20 -0.15 0.00 -1.01 0.00 0.00 55.97 57.14 1ujr s LYS 11 Cb 0.04 -3.19 -0.11 0.00 -1.01 0.00 0.00 37.83 33.55 1ujr s LYS 11 CO -0.05 -0.47 0.59 -1.00 0.51 0.00 0.00 175.35 174.93 1ujr h PRO 12 N 6.41 -0.22 0.00 -1.68 0.13 -2.01 -3.49 132.00 131.14 1ujr h PRO 12 Ca -0.43 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ujr h PRO 12 Cb 1.21 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ujr h PRO 12 CO 0.86 0.09 0.00 -2.37 -0.23 0.00 0.00 178.00 176.35 1ujr n THR 13 N -4.92 0.00 -1.47 1.56 5.66 -1.26 -5.06 114.28 108.79 1ujr n THR 13 Ca -0.06 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.50 1ujr n THR 13 Cb 0.21 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 1ujr n THR 13 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ujr n LEU 14 N 0.00 1.26 0.00 1.09 4.77 -1.26 -4.50 117.00 118.36 1ujr n LEU 14 Ca 0.00 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1ujr n LEU 14 Cb 0.00 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1ujr n LEU 14 CO 0.00 -0.94 -0.16 0.18 -1.33 0.00 0.00 177.39 175.13 1ujr n LEU 15 N 11.40 0.00 -4.67 2.23 4.77 -1.26 -4.92 117.00 124.55 1ujr n LEU 15 Ca 0.52 0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 57.17 1ujr n LEU 15 Cb 0.20 -2.77 -0.10 0.00 -2.33 0.00 0.00 43.42 38.42 1ujr n LEU 15 CO 0.84 -1.93 -0.25 -0.44 -1.33 0.00 0.00 177.39 174.28 1ujr s SER 16 N -5.27 4.05 0.38 -1.43 0.01 -1.26 -4.77 113.70 105.40 1ujr s SER 16 Ca 0.00 -1.33 0.27 0.00 1.31 0.00 0.00 55.95 56.20 1ujr s SER 16 Cb 0.00 -0.32 0.88 0.00 0.21 0.00 0.00 66.02 66.79 1ujr s SER 16 CO 0.00 -0.52 1.78 1.55 0.41 0.00 0.00 173.24 176.45 1ujr h PRO 17 N 1.63 0.00 0.00 12.44 0.13 -1.98 -2.82 132.00 141.39 1ujr h PRO 17 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1ujr h PRO 17 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ujr h PRO 17 CO 0.77 0.00 -0.54 0.93 -0.23 0.00 0.00 178.00 178.93 1ujr h GLU 18 N 0.00 0.00 -0.17 0.86 5.08 -2.00 -3.24 114.58 115.11 1ujr h GLU 18 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1ujr h GLU 18 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ujr h GLU 18 CO 0.00 0.40 -0.53 0.93 -1.00 0.00 0.00 179.01 178.81 1ujr h GLU 19 N 0.00 0.49 0.00 2.33 3.07 -1.91 -2.67 114.58 115.89 1ujr h GLU 19 Ca -0.02 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.51 1ujr h GLU 19 Cb 1.34 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1ujr h GLU 19 CO 0.05 0.90 -0.15 1.25 -1.40 0.00 0.00 179.01 179.66 1ujr h LEU 20 N 0.38 0.00 0.00 1.33 5.85 -1.59 0.14 115.31 121.42 1ujr h LEU 20 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ujr h LEU 20 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ujr h LEU 20 CO 0.10 0.15 0.00 0.29 -0.34 0.00 0.00 178.44 178.64 1ujr n LYS 21 N -3.99 0.06 -0.47 1.25 5.02 -1.01 -3.30 118.16 115.73 1ujr n LYS 21 Ca -0.02 0.16 0.42 0.00 -2.02 0.00 0.00 58.31 56.84 1ujr n LYS 21 Cb 0.24 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 34.47 1ujr n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ujr h ALA 22 N 2.71 3.41 -0.55 7.82 0.00 -0.74 1.39 119.26 133.30 1ujr h ALA 22 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1ujr h ALA 22 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ujr h ALA 22 CO 0.00 -1.97 0.73 0.00 0.00 0.00 0.00 179.25 178.01 1ujr h ALA 23 N 1.02 2.31 0.00 0.00 0.00 -1.78 0.36 119.26 121.18 1ujr h ALA 23 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1ujr h ALA 23 Cb 3.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.93 1ujr h ALA 23 CO -0.01 -1.02 -0.05 0.77 0.00 0.00 0.00 179.25 178.95 1ujr h SER 24 N 0.00 0.00 -1.26 0.00 0.02 0.16 -3.36 113.55 109.11 1ujr h SER 24 Ca 0.26 0.00 0.37 0.00 -0.84 0.00 0.00 61.79 61.58 1ujr h SER 24 Cb 1.72 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.21 1ujr h SER 24 CO -0.00 0.11 1.12 0.08 -1.14 0.00 0.00 176.83 176.99 1ujr h ARG 25 N -0.16 0.00 -1.53 3.45 0.11 -1.47 0.49 114.38 115.27 1ujr h ARG 25 Ca 0.00 0.00 0.47 0.00 0.10 0.00 0.00 59.98 60.55 1ujr h ARG 25 Cb 0.05 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.04 1ujr h ARG 25 CO 0.00 0.00 1.07 0.41 0.10 0.00 0.00 179.97 181.55 1ujr n GLY 26 N -1.76 -0.81 0.32 0.08 0.00 0.12 -0.02 105.19 103.12 1ujr n GLY 26 Ca 0.28 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 1ujr n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ujr h ASN 27 N 0.00 -1.36 0.00 1.61 4.21 -1.15 -3.42 115.58 115.47 1ujr h ASN 27 Ca 0.80 0.18 0.00 0.00 1.21 0.00 0.00 56.30 58.49 1ujr h ASN 27 Cb 2.99 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 40.75 1ujr h ASN 27 CO -0.16 -0.28 0.00 0.61 -1.29 0.00 0.00 177.43 176.32 1ujr n GLY 28 N -1.26 -0.01 5.91 2.83 0.00 0.97 -4.91 105.19 108.71 1ujr n GLY 28 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ujr n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujr n GLU 29 N 0.00 0.00 -4.13 1.61 1.02 0.13 -4.63 120.64 114.64 1ujr n GLU 29 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1ujr n GLU 29 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1ujr n GLU 29 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1ujr s TYR 30 N 0.00 1.01 -0.02 -0.32 -0.85 -1.26 0.09 117.35 116.00 1ujr s TYR 30 Ca 0.00 -0.49 -0.09 0.00 -0.52 0.00 0.00 57.07 55.97 1ujr s TYR 30 Cb 0.00 -0.57 0.01 0.00 0.38 0.00 0.00 41.96 41.77 1ujr s TYR 30 CO 0.00 0.00 0.18 0.00 -1.52 0.00 0.00 175.55 174.21 1ujr s ALA 31 N -1.41 -0.44 -0.20 9.51 0.00 0.13 -4.71 121.76 124.65 1ujr s ALA 31 Ca -0.04 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 1ujr s ALA 31 Cb -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1ujr s ALA 31 CO 0.01 -0.20 0.15 -1.58 0.00 0.00 0.00 175.76 174.15 1ujr s TRP 32 N -1.09 3.42 0.00 0.00 0.52 -1.26 0.32 118.94 120.85 1ujr s TRP 32 Ca -0.12 0.36 0.07 0.00 0.02 0.00 0.00 56.10 56.43 1ujr s TRP 32 Cb -0.06 -2.18 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 1ujr s TRP 32 CO 0.02 0.29 -0.23 0.71 0.02 0.00 0.00 176.95 177.76 1ujr s TYR 33 N 0.37 2.00 -0.09 -1.98 1.51 0.97 -3.66 117.35 116.46 1ujr s TYR 33 Ca 0.09 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1ujr s TYR 33 Cb -0.11 -1.26 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1ujr s TYR 33 CO -0.01 0.01 -0.11 1.52 -1.11 0.00 0.00 175.55 175.84 1ujr s TYR 34 N -0.61 2.83 0.15 2.71 -0.85 0.14 0.29 117.35 122.01 1ujr s TYR 34 Ca 0.09 -0.31 -0.34 0.00 -0.52 0.00 0.00 57.07 55.99 1ujr s TYR 34 Cb -0.09 -1.76 -0.16 0.00 0.38 0.00 0.00 41.96 40.34 1ujr s TYR 34 CO -0.00 0.05 1.29 -1.91 -1.52 0.00 0.00 175.55 173.46 1ujr n GLU 35 N 2.86 1.35 -2.09 -3.49 4.07 0.10 0.00 120.64 123.45 1ujr n GLU 35 Ca -0.18 0.48 -0.01 0.00 -0.06 0.00 0.00 57.16 57.40 1ujr n GLU 35 Cb 0.53 -2.08 -0.00 0.00 -0.06 0.00 0.00 31.44 29.83 1ujr n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ujr n GLY 36 N 2.34 4.03 0.52 8.31 0.00 0.11 -4.74 105.19 115.76 1ujr n GLY 36 Ca 0.16 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 1ujr n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujr h ARG 37 N 0.00 -1.14 -0.42 1.61 2.47 -1.95 -2.85 114.38 112.10 1ujr h ARG 37 Ca -0.01 0.08 0.04 0.00 -1.26 0.00 0.00 59.98 58.82 1ujr h ARG 37 Cb 0.05 0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 1ujr h ARG 37 CO 0.02 -0.76 0.20 -0.91 0.56 0.00 0.00 179.97 179.08 1ujr h ASN 38 N -1.18 0.29 0.00 7.04 2.35 -1.99 -3.47 115.58 118.62 1ujr h ASN 38 Ca -0.10 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ujr h ASN 38 Cb 0.96 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1ujr h ASN 38 CO 0.07 0.21 0.00 0.61 -1.65 0.00 0.00 177.43 176.67 1ujr n GLY 39 N -1.23 -1.34 2.93 2.83 0.00 -1.08 -5.13 105.19 102.18 1ujr n GLY 39 Ca 0.02 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 1ujr n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ujr s TRP 40 N 0.00 0.37 0.19 1.61 0.52 -1.26 0.07 118.94 120.44 1ujr s TRP 40 Ca 0.00 -0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.14 1ujr s TRP 40 Cb 0.00 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 1ujr s TRP 40 CO 0.00 -0.02 -0.18 -1.58 0.02 0.00 0.00 176.95 175.19 1ujr s TRP 41 N 0.03 1.88 0.35 -1.98 0.52 0.10 -4.77 118.94 115.06 1ujr s TRP 41 Ca 0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.64 1ujr s TRP 41 Cb -0.03 -0.90 -0.04 0.00 -1.15 0.00 0.00 33.47 31.35 1ujr s TRP 41 CO -0.00 0.40 0.58 -1.14 0.02 0.00 0.00 176.95 176.81 1ujr s GLN 42 N -3.09 3.52 0.04 4.98 0.74 -1.26 0.24 119.66 124.83 1ujr s GLN 42 Ca 0.20 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.42 1ujr s GLN 42 Cb -0.04 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.45 1ujr s GLN 42 CO 0.08 0.11 0.05 0.66 -0.55 0.00 0.00 175.29 175.64 1ujr n TYR 43 N -1.67 -3.46 0.00 1.67 4.01 -1.24 -4.88 117.16 111.59 1ujr n TYR 43 Ca -0.03 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1ujr n TYR 43 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1ujr n TYR 43 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ujr n ASP 44 N -3.00 0.00 0.00 7.72 9.92 -1.26 -5.03 116.55 124.90 1ujr n ASP 44 Ca 0.01 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.72 1ujr n ASP 44 Cb 0.03 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 1ujr n ASP 44 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ujr n GLU 45 N -1.60 0.00 0.25 -1.24 2.13 -1.26 -5.01 120.64 113.92 1ujr n GLU 45 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1ujr n GLU 45 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1ujr n GLU 45 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ujr h ARG 46 N 0.00 -0.66 -0.84 5.31 2.43 -1.99 -2.18 114.38 116.45 1ujr h ARG 46 Ca 0.00 0.05 0.28 0.00 -0.81 0.00 0.00 59.98 59.49 1ujr h ARG 46 Cb 0.00 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.55 1ujr h ARG 46 CO 0.00 -0.44 0.18 2.41 -1.51 0.00 0.00 179.97 180.60 1ujr n THR 47 N -4.80 -0.35 0.01 0.20 -1.04 -1.26 0.19 114.28 107.23 1ujr n THR 47 Ca -0.09 1.79 -0.13 0.00 -2.04 0.00 0.00 64.05 63.59 1ujr n THR 47 Cb 0.27 -2.72 -0.09 0.00 -1.82 0.00 0.00 70.33 65.97 1ujr n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ujr h SER 48 N 0.00 0.01 -0.99 8.00 0.02 -1.95 -1.95 113.55 116.69 1ujr h SER 48 Ca 0.58 -0.28 0.29 0.00 -0.84 0.00 0.00 61.79 61.54 1ujr h SER 48 Cb 1.36 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 1ujr h SER 48 CO -0.74 0.28 0.97 0.03 -1.14 0.00 0.00 176.83 176.24 1ujr h ARG 49 N -0.27 0.00 0.09 3.45 3.08 0.27 1.60 114.38 122.60 1ujr h ARG 49 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1ujr h ARG 49 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1ujr h ARG 49 CO 0.00 0.00 -1.75 0.93 -1.07 0.00 0.00 179.97 178.08 1ujr h GLU 50 N 0.00 0.19 0.29 0.04 4.39 -0.87 -2.93 114.58 115.69 1ujr h GLU 50 Ca 0.47 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1ujr h GLU 50 Cb 2.41 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 31.18 1ujr h GLU 50 CO -0.00 0.99 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.60 1ujr h LEU 51 N 0.05 -0.40 0.83 1.33 3.38 0.30 -0.43 115.31 120.38 1ujr h LEU 51 Ca -0.32 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1ujr h LEU 51 Cb 2.02 0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.90 1ujr h LEU 51 CO 0.12 -0.27 -0.40 -0.08 0.09 0.00 0.00 178.44 177.90 1ujr h GLU 52 N -0.43 -1.07 -0.99 1.13 4.22 -1.21 0.41 114.58 116.64 1ujr h GLU 52 Ca -0.03 0.07 0.29 0.00 0.08 0.00 0.00 59.36 59.77 1ujr h GLU 52 Cb 0.35 0.24 -0.18 0.00 0.50 0.00 0.00 28.75 29.66 1ujr h GLU 52 CO 0.04 -0.71 0.11 -0.44 -2.18 0.00 0.00 179.01 175.84 1ujr h ASP 53 N -1.24 -0.35 0.23 1.04 3.32 -1.50 1.57 116.42 119.49 1ujr h ASP 53 Ca -0.11 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1ujr h ASP 53 Cb 0.86 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1ujr h ASP 53 CO 0.19 -0.37 -0.11 0.00 -1.72 0.00 0.00 179.24 177.23 1ujr h ALA 54 N 1.99 -0.60 -0.95 3.45 0.00 -0.83 -0.09 119.26 122.23 1ujr h ALA 54 Ca 0.64 -0.07 0.29 0.00 0.00 0.00 0.00 54.91 55.77 1ujr h ALA 54 Cb 1.39 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 1ujr h ALA 54 CO -0.90 -0.57 0.24 0.35 0.00 0.00 0.00 179.25 178.37 1ujr h PHE 55 N -0.52 0.34 0.71 0.00 3.57 0.15 0.70 116.94 121.89 1ujr h PHE 55 Ca -0.03 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ujr h PHE 55 Cb 0.24 0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.99 1ujr h PHE 55 CO 0.07 -0.34 -0.34 1.03 -2.23 0.00 0.00 178.31 176.49 1ujr h SER 56 N 0.10 -0.81 -0.92 0.41 0.87 0.21 -3.02 113.55 110.39 1ujr h SER 56 Ca 0.64 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 61.43 1ujr h SER 56 Cb 1.43 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 63.47 1ujr h SER 56 CO -0.77 -0.44 0.46 0.11 -0.53 0.00 0.00 176.83 175.65 1ujr h LYS 57 N -1.21 0.47 0.00 2.24 1.57 0.10 -3.45 116.57 116.29 1ujr h LYS 57 Ca -0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ujr h LYS 57 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1ujr h LYS 57 CO 0.16 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 1ujr n GLY 58 N -1.33 1.14 3.64 3.86 0.00 0.22 -5.08 105.19 107.64 1ujr n GLY 58 Ca 0.23 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.76 1ujr n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujr n LYS 59 N 0.00 1.70 0.07 1.61 5.02 -0.79 -4.89 118.16 120.89 1ujr n LYS 59 Ca 0.00 0.61 -0.11 0.00 -2.02 0.00 0.00 58.31 56.79 1ujr n LYS 59 Cb 0.00 -2.33 -0.08 0.00 -0.02 0.00 0.00 35.03 32.60 1ujr n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1ujr h LYS 60 N 5.48 -0.24 -6.48 1.97 6.56 -1.93 -3.36 116.57 118.57 1ujr h LYS 60 Ca -0.46 0.02 -0.68 0.00 -1.06 0.00 0.00 60.65 58.46 1ujr h LYS 60 Cb 1.29 0.05 -0.20 0.00 -0.57 0.00 0.00 32.23 32.81 1ujr h LYS 60 CO 0.84 0.17 -0.76 0.54 -2.06 0.00 0.00 179.45 178.18 1ujr s ASN 61 N -5.40 4.14 0.21 0.86 2.20 -1.26 0.18 114.94 115.86 1ujr s ASN 61 Ca -0.13 -0.33 0.08 0.00 -0.94 0.00 0.00 52.86 51.54 1ujr s ASN 61 Cb 0.01 -0.79 -0.05 0.00 -2.00 0.00 0.00 41.25 38.42 1ujr s ASN 61 CO 0.50 0.26 -0.15 0.28 -2.94 0.00 0.00 177.10 175.04 1ujr s THR 62 N -0.98 1.79 0.00 0.54 -1.32 0.14 -4.93 115.64 110.89 1ujr s THR 62 Ca 0.16 -2.20 0.01 0.00 -1.21 0.00 0.00 61.69 58.45 1ujr s THR 62 Cb -0.11 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1ujr s THR 62 CO 0.07 -0.56 0.03 -0.70 -2.21 0.00 0.00 174.62 171.25 1ujr s GLU 63 N -3.56 2.87 -0.17 7.08 2.12 -1.26 0.23 118.70 126.02 1ujr s GLU 63 Ca 0.22 -0.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.89 1ujr s GLU 63 Cb -0.01 -2.73 0.06 0.00 0.26 0.00 0.00 34.13 31.71 1ujr s GLU 63 CO 0.07 0.63 0.39 0.00 -0.54 0.00 0.00 175.26 175.81 1ujr s MET 64 N -1.67 0.35 -0.51 4.30 0.23 0.11 -4.91 119.30 117.20 1ujr s MET 64 Ca 0.21 0.80 -0.21 0.00 -1.03 0.00 0.00 55.69 55.47 1ujr s MET 64 Cb -0.12 0.02 0.05 0.00 -1.53 0.00 0.00 34.83 33.26 1ujr s MET 64 CO 0.12 -0.18 0.72 -1.17 -2.03 0.00 0.00 175.02 172.48 1ujr s LEU 65 N 1.64 4.66 0.63 0.18 2.96 -1.26 0.09 118.68 127.57 1ujr s LEU 65 Ca -0.08 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.18 1ujr s LEU 65 Cb -0.09 -2.59 0.09 0.00 0.50 0.00 0.00 46.19 44.09 1ujr s LEU 65 CO -0.12 -0.98 0.87 -0.63 -1.32 0.00 0.00 176.35 174.16 1ujr s ILE 66 N 3.05 2.31 -0.81 6.68 -1.09 0.13 -4.86 121.20 126.61 1ujr s ILE 66 Ca 0.20 -0.74 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 1ujr s ILE 66 Cb -0.17 -2.57 -0.25 0.00 -1.58 0.00 0.00 42.46 37.89 1ujr s ILE 66 CO 0.15 0.00 1.85 0.00 -1.23 0.00 0.00 174.94 175.71 1ujr n ALA 67 N -2.51 0.75 -4.22 9.38 0.00 -1.26 0.39 120.51 123.04 1ujr n ALA 67 Ca 0.13 -0.55 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1ujr n ALA 67 Cb 0.61 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1ujr n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ujr n GLY 68 N 4.65 -0.26 3.63 0.00 0.00 -1.26 -4.92 105.19 107.03 1ujr n GLY 68 Ca 0.55 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.76 1ujr n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujr s PHE 69 N -4.18 -1.29 -0.11 1.61 0.08 0.16 -5.13 117.98 109.12 1ujr s PHE 69 Ca 0.08 2.25 -0.30 0.00 0.12 0.00 0.00 56.93 59.09 1ujr s PHE 69 Cb -0.04 0.77 -0.02 0.00 -0.57 0.00 0.00 43.02 43.16 1ujr s PHE 69 CO 0.98 -0.64 1.24 -0.51 -0.10 0.00 0.00 175.22 176.19 1ujr s LEU 70 N 2.79 4.23 0.25 -0.37 2.01 -1.26 0.19 118.68 126.52 1ujr s LEU 70 Ca -0.06 1.76 0.06 0.00 0.01 0.00 0.00 54.13 55.90 1ujr s LEU 70 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 46.19 42.49 1ujr s LEU 70 CO -0.19 -0.68 -0.07 -0.31 1.01 0.00 0.00 176.35 176.10 1ujr s TYR 71 N 2.89 1.80 0.01 0.29 2.02 0.11 0.14 117.35 124.61 1ujr s TYR 71 Ca 0.56 -0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1ujr s TYR 71 Cb -0.23 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1ujr s TYR 71 CO 0.18 0.24 -0.00 0.14 -1.57 0.00 0.00 175.55 174.54 1ujr s VAL 72 N -3.08 0.05 -0.25 0.71 -7.23 0.14 0.09 120.40 110.82 1ujr s VAL 72 Ca 0.27 -0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 60.01 1ujr s VAL 72 Cb 0.03 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.85 1ujr s VAL 72 CO 0.10 -0.22 -0.04 0.00 -0.31 0.00 0.00 175.10 174.63 1ujr s ALA 73 N -0.65 2.77 -0.52 1.32 0.00 0.14 0.51 121.76 125.32 1ujr s ALA 73 Ca -0.07 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 1ujr s ALA 73 Cb -0.04 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.40 1ujr s ALA 73 CO -0.00 -0.81 0.54 0.34 0.00 0.00 0.00 175.76 175.83 1ujr s ASP 74 N 1.36 6.18 0.31 0.00 2.15 0.16 0.27 116.67 127.10 1ujr s ASP 74 Ca 0.01 -1.38 0.12 0.00 0.43 0.00 0.00 52.55 51.74 1ujr s ASP 74 Cb -0.17 -2.24 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 1ujr s ASP 74 CO -0.03 -0.86 1.67 -0.07 -0.17 0.00 0.00 175.17 175.71 1ujr h LEU 75 N 9.26 0.00 -0.57 -1.34 3.38 -0.49 0.52 115.31 126.08 1ujr h LEU 75 Ca -0.29 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ujr h LEU 75 Cb 1.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1ujr h LEU 75 CO 0.99 0.53 -0.19 -0.33 0.09 0.00 0.00 178.44 179.54 1ujr h GLU 76 N 0.00 -0.04 -0.02 1.13 4.39 -1.90 -0.23 114.58 117.91 1ujr h GLU 76 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ujr h GLU 76 Cb 0.99 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1ujr h GLU 76 CO 0.07 -0.03 -0.28 0.09 -1.16 0.00 0.00 179.01 177.70 1ujr n ASN 77 N -5.42 2.23 -2.54 1.42 3.02 -1.19 -4.96 115.26 107.82 1ujr n ASN 77 Ca 0.06 -1.61 -0.17 0.00 -0.03 0.00 0.00 54.58 52.82 1ujr n ASN 77 Cb 0.32 0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.84 1ujr n ASN 77 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ujr n MET 78 N 0.40 -4.78 -3.90 3.52 2.81 0.81 -4.92 117.12 111.06 1ujr n MET 78 Ca 0.10 0.65 -0.11 0.00 -1.81 0.00 0.00 57.70 56.53 1ujr n MET 78 Cb 0.47 -5.03 -0.12 0.00 -0.71 0.00 0.00 33.22 27.83 1ujr n MET 78 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ujr s VAL 79 N -3.12 0.05 0.08 2.03 -7.23 0.15 0.15 120.40 112.50 1ujr s VAL 79 Ca 0.33 -0.45 0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1ujr s VAL 79 Cb -0.15 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1ujr s VAL 79 CO 0.41 -0.25 -0.14 0.00 -0.31 0.00 0.00 175.10 174.81 1ujr s GLN 80 N -0.77 2.09 0.06 4.82 -2.07 0.10 0.36 119.66 124.25 1ujr s GLN 80 Ca -0.08 -1.01 -0.07 0.00 -1.82 0.00 0.00 55.36 52.38 1ujr s GLN 80 Cb -0.05 -2.25 -0.01 0.00 -1.09 0.00 0.00 33.01 29.61 1ujr s GLN 80 CO 0.00 0.52 0.13 1.52 -1.32 0.00 0.00 175.29 176.15 1ujr s TYR 81 N -1.08 0.21 0.28 9.60 -0.85 0.18 0.51 117.35 126.20 1ujr s TYR 81 Ca 0.18 -0.59 -0.30 0.00 -0.52 0.00 0.00 57.07 55.84 1ujr s TYR 81 Cb -0.11 -0.13 -0.10 0.00 0.38 0.00 0.00 41.96 42.00 1ujr s TYR 81 CO 0.10 -0.46 1.47 1.03 -1.52 0.00 0.00 175.55 176.17 1ujr s ARG 82 N -3.37 4.22 0.17 -3.49 0.52 0.11 0.24 118.95 117.36 1ujr s ARG 82 Ca 0.01 2.39 -0.19 0.00 -0.52 0.00 0.00 55.73 57.42 1ujr s ARG 82 Cb 0.03 -3.07 0.10 0.00 0.52 0.00 0.00 34.95 32.53 1ujr s ARG 82 CO -0.08 -0.46 1.63 -0.09 0.02 0.00 0.00 175.30 176.32 1ujr h ARG 83 N 4.59 -0.12 0.00 3.54 2.43 -0.55 -2.54 114.38 121.73 1ujr h ARG 83 Ca -0.47 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1ujr h ARG 83 Cb 1.22 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1ujr h ARG 83 CO 0.75 -0.08 -1.06 -1.71 -1.51 0.00 0.00 179.97 176.37 1ujr n ASN 84 N -5.38 1.85 -2.92 -3.80 2.85 -1.26 -4.38 115.26 102.22 1ujr n ASN 84 Ca 0.02 0.49 -0.21 0.00 -0.11 0.00 0.00 54.58 54.77 1ujr n ASN 84 Cb 0.29 -0.91 -0.05 0.00 1.24 0.00 0.00 39.78 40.35 1ujr n ASN 84 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ujr n GLU 85 N -4.49 2.20 -0.46 1.20 0.00 -1.22 -4.59 120.64 113.28 1ujr n GLU 85 Ca -0.24 -1.38 0.41 0.00 0.00 0.00 0.00 57.16 55.95 1ujr n GLU 85 Cb 0.53 -2.35 0.69 0.00 0.00 0.00 0.00 31.44 30.31 1ujr n GLU 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ujr h HIS 86 N 5.40 0.00 -0.18 4.31 3.86 -1.66 0.96 115.15 127.84 1ujr h HIS 86 Ca 0.47 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.70 1ujr h HIS 86 Cb 0.43 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1ujr h HIS 86 CO 1.83 0.00 0.03 0.78 0.86 0.00 0.00 177.93 181.42 1ujr h GLY 87 N 0.00 0.19 -6.61 2.45 0.00 -1.84 -3.40 103.07 93.86 1ujr h GLY 87 Ca 0.71 -0.01 -0.57 0.00 0.00 0.00 0.00 47.33 47.46 1ujr h GLY 87 CO -0.01 -0.01 1.20 0.50 0.00 0.00 0.00 176.54 178.22 1ujr s ARG 88 N -6.19 3.52 0.14 4.80 1.81 0.33 -4.95 118.95 118.42 1ujr s ARG 88 Ca -0.13 1.44 -0.08 0.00 -1.72 0.00 0.00 55.73 55.24 1ujr s ARG 88 Cb 0.09 -4.12 -0.01 0.00 -0.45 0.00 0.00 34.95 30.46 1ujr s ARG 88 CO 0.68 -1.63 0.23 -0.98 -0.68 0.00 0.00 175.30 172.93 1ujr s ARG 89 N 5.24 1.05 0.05 3.54 1.04 -1.26 0.06 118.95 128.67 1ujr s ARG 89 Ca 0.75 -1.15 -0.24 0.00 -1.04 0.00 0.00 55.73 54.05 1ujr s ARG 89 Cb -0.22 0.35 0.06 0.00 -2.04 0.00 0.00 34.95 33.10 1ujr s ARG 89 CO 0.32 -0.36 0.56 1.03 -0.04 0.00 0.00 175.30 176.81 1ujr s ARG 90 N -3.95 1.08 0.47 3.89 1.81 0.18 -4.96 118.95 117.48 1ujr s ARG 90 Ca 0.15 -0.20 -0.19 0.00 -1.72 0.00 0.00 55.73 53.77 1ujr s ARG 90 Cb 0.04 0.49 -0.09 0.00 -0.45 0.00 0.00 34.95 34.94 1ujr s ARG 90 CO -0.03 -0.40 0.98 0.15 -0.68 0.00 0.00 175.30 175.32 1ujr s LYS 91 N -2.46 4.05 0.04 3.54 1.02 -1.26 0.02 119.74 124.68 1ujr s LYS 91 Ca -0.05 1.08 0.03 0.00 0.02 0.00 0.00 55.97 57.04 1ujr s LYS 91 Cb -0.01 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1ujr s LYS 91 CO -0.02 -0.19 -0.09 0.96 -0.92 0.00 0.00 175.35 175.09 1ujr s ILE 92 N -2.35 0.65 0.14 2.17 -4.36 0.12 0.03 121.20 117.60 1ujr s ILE 92 Ca 0.61 -0.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.98 1ujr s ILE 92 Cb -0.10 -0.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 1ujr s ILE 92 CO 0.22 -0.26 0.13 -1.59 0.24 0.00 0.00 174.94 173.68 1ujr s LYS 93 N -1.37 1.01 -0.27 0.37 -2.85 0.15 -4.69 119.74 112.08 1ujr s LYS 93 Ca -0.06 -1.35 0.03 0.00 -1.00 0.00 0.00 55.97 53.58 1ujr s LYS 93 Cb -0.09 0.29 0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1ujr s LYS 93 CO 0.01 -0.32 -0.09 0.50 0.10 0.00 0.00 175.35 175.55 1ujr s ARG 94 N -4.02 2.21 0.51 1.78 3.52 -1.26 -0.02 118.95 121.67 1ujr s ARG 94 Ca 0.22 -1.38 0.09 0.00 -0.13 0.00 0.00 55.73 54.53 1ujr s ARG 94 Cb 0.06 -2.94 0.05 0.00 -1.56 0.00 0.00 34.95 30.56 1ujr s ARG 94 CO 0.01 -0.60 0.66 0.34 -0.81 0.00 0.00 175.30 174.90 1ujr s ASP 95 N 1.11 5.25 0.05 -2.12 2.15 0.15 -4.87 116.67 118.38 1ujr s ASP 95 Ca -0.07 -0.73 0.01 0.00 0.43 0.00 0.00 52.55 52.19 1ujr s ASP 95 Cb -0.20 -0.08 -0.04 0.00 -0.30 0.00 0.00 42.92 42.30 1ujr s ASP 95 CO -0.05 -1.08 0.12 -0.63 -0.17 0.00 0.00 175.17 173.36 1ujr s ILE 96 N -2.55 4.85 0.35 4.11 -1.09 -1.26 0.18 121.20 125.78 1ujr s ILE 96 Ca 0.56 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 1ujr s ILE 96 Cb -0.07 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1ujr s ILE 96 CO 0.35 0.20 0.11 -0.63 -1.23 0.00 0.00 174.94 173.74 1ujr s ILE 97 N -1.36 0.72 0.02 2.92 -1.09 0.11 -4.79 121.20 117.73 1ujr s ILE 97 Ca 0.29 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.71 1ujr s ILE 97 Cb -0.12 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1ujr s ILE 97 CO 0.21 0.00 0.00 -0.67 -1.23 0.00 0.00 174.94 173.25 1ujr n ASP 98 N -0.95 -4.96 -4.05 3.58 -0.08 -1.26 0.21 116.55 109.05 1ujr n ASP 98 Ca -0.03 0.70 -0.37 0.00 -1.51 0.00 0.00 54.79 53.59 1ujr n ASP 98 Cb 0.66 -2.65 0.03 0.00 2.34 0.00 0.00 41.12 41.49 1ujr n ASP 98 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1ujr n ILE 99 N 0.73 0.00 -2.37 5.18 -6.64 -1.26 -4.66 119.36 110.34 1ujr n ILE 99 Ca 0.00 -0.50 -0.43 0.00 -1.77 0.00 0.00 62.75 60.05 1ujr n ILE 99 Cb 0.00 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.18 1ujr n ILE 99 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ujr s PRO 100 N -1.69 3.81 -0.17 6.28 0.04 -1.26 -4.88 135.00 137.12 1ujr s PRO 100 Ca 0.45 1.21 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1ujr s PRO 100 Cb -0.27 -3.93 -0.09 0.00 0.04 0.00 0.00 34.50 30.25 1ujr s PRO 100 CO 0.78 -1.26 -0.08 1.17 0.04 0.00 0.00 177.00 177.65 1ujr n LYS 101 N 7.55 0.50 -0.59 4.56 3.00 -1.26 -3.74 118.16 128.19 1ujr n LYS 101 Ca 0.16 0.51 0.47 0.00 -0.00 0.00 0.00 58.31 59.45 1ujr n LYS 101 Cb 0.47 -1.69 0.77 0.00 0.00 0.00 0.00 35.03 34.58 1ujr n LYS 101 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ujr h LYS 102 N -1.00 0.02 0.31 1.64 3.64 -2.00 0.12 116.57 119.30 1ujr h LYS 102 Ca -0.14 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1ujr h LYS 102 Cb 0.83 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1ujr h LYS 102 CO -0.08 0.01 -0.15 0.78 -2.27 0.00 0.00 179.45 177.74 1ujr h GLY 103 N 0.02 -0.43 -7.00 5.01 0.00 -1.98 -3.47 103.07 95.22 1ujr h GLY 103 Ca 0.86 0.16 -0.55 0.00 0.00 0.00 0.00 47.33 47.80 1ujr h GLY 103 CO -0.13 -0.16 -0.91 1.55 0.00 0.00 0.00 176.54 176.90 1ujr n VAL 104 N -3.62 -2.12 -1.33 4.60 3.14 0.42 -4.42 118.33 115.00 1ujr n VAL 104 Ca -0.05 -0.52 -0.40 0.00 -2.96 0.00 0.00 64.34 60.41 1ujr n VAL 104 Cb 0.16 -1.82 -0.13 0.00 -1.06 0.00 0.00 33.84 30.99 1ujr n VAL 104 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ujr n SER 105 N -1.93 0.33 -4.45 6.55 2.88 -1.26 -4.58 113.62 111.17 1ujr n SER 105 Ca -0.13 0.24 -0.45 0.00 -1.33 0.00 0.00 58.87 57.20 1ujr n SER 105 Cb 0.52 -0.84 -0.13 0.00 -0.75 0.00 0.00 64.21 63.02 1ujr n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujr n GLY 106 N 6.08 -0.28 3.69 0.46 0.00 -1.26 -4.83 105.19 109.05 1ujr n GLY 106 Ca 0.59 1.08 -0.42 0.00 0.00 0.00 0.00 46.02 47.27 1ujr n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujr s PRO 107 N 8.10 4.37 0.32 1.61 0.04 -1.26 -4.79 135.00 143.39 1ujr s PRO 107 Ca 1.27 1.70 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1ujr s PRO 107 Cb -1.17 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1ujr s PRO 107 CO 0.50 -0.41 0.00 0.43 0.04 0.00 0.00 177.00 177.56 1ujr n SER 108 N 4.93 -3.99 -3.60 6.66 7.64 -1.26 -5.05 113.62 118.95 1ujr n SER 108 Ca 0.11 0.74 -0.15 0.00 1.01 0.00 0.00 58.87 60.58 1ujr n SER 108 Cb 0.46 -2.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.07 1ujr n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujr s SER 109 N -5.67 -0.67 0.00 6.43 0.15 -1.26 -5.22 113.70 107.45 1ujr s SER 109 Ca 0.00 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1ujr s SER 109 Cb 0.00 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1ujr s SER 109 CO 0.00 -0.38 0.04 0.61 1.20 0.00 0.00 173.24 174.71